bismuth(3+) ion borate

• ChemBase ID: 106751
• Molecular Formular: BBiO3
• Molecular Mass: 267.7896
• Monoisotopic Mass: 267.97444726
• SMILES: [Bi+3].[O-]B([O-])[O-]
• Canonical SMILES: [O-]B([O-])[O-].[Bi+3]
• InChI: InChI=1S/BO3.Bi/c2-1(3)4;/q-3;+3
• InChIKey: YISOXLVRWFDIKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bismuth(3+) ion borate
• IUPAC Traditional name: bismuth(3+) ion borate
• Synonyms: BISMUTH BORATE

Database IDs

• CAS Number: 37233-77-5
• PubChem SID: 162089041
• PubChem CID: 25021313

CALCULATED PROPERTIES

• Acid pKa: 8.698678
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.5088733
• LogD (pH = 7.4): -0.52978307
• Log P: -0.5086
• Molar Refractivity: 4.3287 cm^3
• Polarizability: 3.917734 Å^3
• Polar Surface Area: 69.18 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05201311

MP Biomedicals Rare Chemical collection